CID 116918

70865-32-6

Structural Information

Molecular Formula
C18H21Cl3N4O4S
SMILES
C1=CC(=CC=C1N=NC2=CC(=C(C=C2Cl)S(=O)(=O)NCCCl)Cl)N(CCO)CCO
InChI
InChI=1S/C18H21Cl3N4O4S/c19-5-6-22-30(28,29)18-12-15(20)17(11-16(18)21)24-23-13-1-3-14(4-2-13)25(7-9-26)8-10-27/h1-4,11-12,22,26-27H,5-10H2
InChIKey
KYDCGDFUABSMKI-UHFFFAOYSA-N
Compound name
4-[[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]-2,5-dichloro-N-(2-chloroethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.0349 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.04218 213.1
[M+Na]+ 517.02412 223.1
[M+NH4]+ 512.06872 218.1
[M+K]+ 532.99806 214.1
[M-H]- 493.02762 216.3
[M+Na-2H]- 515.00957 218.3
[M]+ 494.03435 216.4
[M]- 494.03545 216.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.